SCHEMBL4126014

SCHEMBL4126014

CNC(OC(=O)/C=C/C(=O)O)c1cc(-c2cccnc2F)c(S(=O)(=O)c2ccc(OC)nc2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PABPC1 P11940 1/20 0.33
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3651800 0.97 NAMPT (0.35) NAMPTMEN1KMT2AUSP2TP53
SCHEMBL4135456 0.91 NAMPT (0.33) NAMPT
SCHEMBL4130273 0.89 FEN1 (0.33) NAMPTMEN1KMT2A
SCHEMBL4119121 0.86 NFE2L2 (0.33) NFE2L2
SCHEMBL3646705 0.84 KDM4E (0.32) MEN1KMT2ATSHR
Fumaric Acid SCHEMBL3651799 0.83 NAMPT (0.39) NAMPTMEN1KMT2AUSP2TP53
Fumaric Acid SCHEMBL4126019 0.83 NAMPT (0.39) NAMPTMEN1KMT2AUSP2TP53
SCHEMBL4132145 0.81 HCAR2 (0.32)
SCHEMBL3651231 0.80 NPC1 (0.33) NAMPTKMT2AMAPTSMN1; SMN2
SCHEMBL3649702 0.79 GPBAR1 (0.33) NAMPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 NAMPT 2129/4885MEN1 1910/4885KMT2A 4776/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.